Changes of local electronic structure of perfect (VO)2P2O7(100) surface in response to oxygen vacancy formation: effect of electron trapping
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[1] M. Witko,et al. Electronic structure of vanadyl pyrophosphate: cluster model studies , 2001 .
[2] F. Cavani,et al. Relationship between structural/surface characteristics and reactivity in n-butane oxidation to maleic anhydride: The role of V3+ species , 2000 .
[3] Gianfranco Pacchioni,et al. Ab initio Theory of Point Defects in Oxide Materials: Structure, Properties, Chemical Reactivity , 2000 .
[4] Henny J. M. Bouwmeester,et al. Solid state aspects of oxidation catalysis , 2000 .
[5] J. Védrine. Partial oxidation reactions on phosphate-based catalysts , 2000 .
[6] A. Stoneham,et al. Modelling of silver adhesion on MgO(100) surface with defects , 2000 .
[7] M. Azuma,et al. Structural Study of the Quantum-Spin Chain Compound (VO)2P2O7 , 1999 .
[8] E. Bordes,et al. Influence of the nanostructure and morphology of (VO)2P2O7 on its catalytic reactivity , 1999 .
[9] H. Papp,et al. Investigation of the surface of vanadyl pyrophosphate catalysts , 1998 .
[10] R. Nieminen,et al. Convergence of supercell calculations for point defects in semiconductors: Vacancy in silicon , 1998 .
[11] C. Pisani,et al. The oxygen vacancy at the surface and in bulk MgO: An embedded-cluster study , 1997 .
[12] A. Satsuma,et al. Activity of surface species of (VO)2P2O7 in the oxidation of n-butane , 1997 .
[13] K. Shima,et al. Maleic anhydride by heterogeneous oxidation of n-butane , 1997 .
[14] B. Grzybowska-Świerkosz. Active centres on vanadia-based catalysts for selective oxidation of hydrocarbons , 1997 .
[15] F. Cavani,et al. The characterization of the surface properties of VPO-based catalysts by probe molecules , 1997 .
[16] P. Gai. A new structural transformation mechanism in catalytic oxides , 1997 .
[17] Anna Maria Ferrari,et al. Importance of Madelung potential in quantum chemical modeling of ionic surfaces , 1997, J. Comput. Chem..
[18] Y. Schuurman,et al. A comparison of steady-state and unsteady-state reaction kinetics of n-butane oxidation over VPO catalysts using a TAP-2 reactor system , 1997 .
[19] S. Sundaresan,et al. New precursors to vanadium phosphorus oxide catalysts , 1997 .
[20] B. Kubias,et al. In situ-electron spin resonance: a useful tool for the investigation of vanadium phosphate catalysts (VPO) under working conditions , 1996 .
[21] M. Gillan,et al. Modelling of oxide surfaces , 1996 .
[22] W. Cheng. Effect of compositions of promoted VPO catalysts on the selective oxidation of n-butane to maleic anhydride , 1996 .
[23] S. Sundaresan,et al. The effect of the phase composition of model VPO catalysts for partial oxidation of n-butane , 1996 .
[24] M. Barteau. Organic Reactions at Well-Defined Oxide Surfaces. , 1996, Chemical reviews.
[25] P. Nguyen,et al. Modeling of Extended Defects in the Vanadium Phosphate Catalyst for Butane Oxidation, (VO)2P2O7 , 1996 .
[26] J. Haber,et al. n-Butane oxidation on VPO catalysts. Influence of alkali and alkaline-earth metal ions as additions , 1996 .
[27] G. Pacchioni,et al. Electronic Structure of F and V Centers on the MgO Surface , 1995 .
[28] S. Sundaresan,et al. Evolution of the active surface of the vanadyl pyrophosphate catalysts , 1995 .
[29] M. Misono,et al. Redox processes of surface of vanadyl pyrophosphate in relation to selective oxidation ofn-butane , 1995 .
[30] P. Gai,et al. Solid-State Defect Mechanism in Vanadyl Pyrophosphate Catalysts: Implications for Selective Oxidation , 1995, Science.
[31] Peter Politzer,et al. Modern density functional theory: a tool for chemistry , 1995 .
[32] P. Courtine,et al. Dynamic description of the oxidation of n-butane on various faces of (VO)2P2O7 in terms of the crystallochemical model of active sites , 1993 .
[33] Jordi Casanovas,et al. Madelung fields from optimized point charges for ab initio cluster model calculations on ionic systems , 1993, J. Comput. Chem..
[34] L. Riekert. New developments in selective oxidation : edited by G. Centi and F. Trifiro; published by Elsevier Science Publishers, Amsterdam, 1990; xiv + 891 pp; price Dfl 385.00/U.S. $197.50 , 1991 .
[35] J. Ziók̵owski. Oxidation of butane and butene on the (100) face of (VO)2P2O7: A dynamic view in terms of the crystallochemical model of active sites , 1990 .
[36] I. Mayer. Bond orders and valences: Role of d-orbitals for hypervalent sulphur , 1987 .
[37] J. Ziółkowski. Crystallochemical model of active sites on oxide catalysts , 1986 .
[38] M. Misono,et al. Preparation of Vanadium–Phosphorus Mixed Oxide (P/V=1) Catalysts and Their Application to Oxidation of Butane to Maleic Anhydride , 1985 .
[39] István Mayer,et al. Charge, bond order and valence in the AB initio SCF theory , 1983 .